data_LACS
#################################
# LACS Output Information #
#################################
############################################################
# LACS Designator Definition #
# #
# Index Value Definition #
# #
# 0 Outliers #
# 1 Normal points #
# #
############################################################
save_LACS_CACB_CA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6369_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.90
_LACS_plot.Line_1_terminator_val_y_1 -2.84
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.90
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.73
_LACS_plot.Line_2_terminator_val_x_2 6.60
_LACS_plot.Line_2_terminator_val_y_2 5.22
_LACS_plot.Y_axis_chem_shift_offset 0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 GLN 2.00 -1.80 0
126 HIS 4.50 6.40 0
37 ASN -4.70 1.20 0
10 GLU -5.80 -2.00 1
11 VAL -6.00 -3.00 1
12 ARG -2.50 -1.80 1
13 PHE -6.90 -3.90 1
14 ASN 1.00 -1.60 1
15 ALA -2.70 0.20 1
17 ILE 5.60 4.80 1
18 GLU 5.00 3.50 1
19 LYS 2.30 1.60 1
20 VAL 5.60 3.40 1
21 TRP 2.10 2.10 1
22 GLU 3.10 2.90 1
23 ALA 1.70 1.60 1
24 VAL -0.70 -2.20 1
25 SER -2.30 -1.00 1
26 THR -6.40 -4.10 1
27 SER 2.90 1.40 1
28 GLU 3.60 2.60 1
30 LEU 1.20 1.90 1
31 ALA 1.90 0.90 1
32 PHE 2.40 1.90 1
33 TRP -2.50 -1.90 1
34 PHE 0.20 -1.20 1
35 MET -4.50 -0.70 1
36 GLU 2.40 1.30 1
38 ASP 0.90 -2.00 1
39 LEU 4.30 3.30 1
40 LYS -2.30 -0.70 1
41 ALA 2.00 -1.30 1
42 GLU -5.50 -2.10 1
43 THR 6.60 4.60 1
45 HIS -0.10 3.30 1
46 HIS -0.10 0.80 1
47 PHE -3.30 -2.50 1
48 HIS -2.80 0.60 1
49 LEU -4.70 -2.60 1
51 SER -0.90 1.40 1
53 PHE -1.80 -2.90 1
56 SER -3.20 -1.00 1
59 GLN -3.50 -1.30 1
60 VAL 3.00 2.00 1
61 THR 0.20 -0.10 1
62 ASP -1.90 0.60 1
63 VAL -3.00 -0.40 1
64 GLU -2.80 -1.60 1
65 ARG -0.20 -0.20 1
67 ILE -1.10 1.50 1
68 LYS -3.60 0.20 1
69 LEU -4.10 0.10 1
70 SER -5.10 -2.10 1
71 PHE -4.60 -2.00 1
72 THR -0.80 -1.20 1
73 TRP -6.80 -4.50 1
74 ASP -0.70 0.80 1
75 THR 1.50 0.40 1
76 ASP -1.20 -0.10 1
78 TRP -2.20 -1.90 1
79 SER -2.80 -1.00 1
80 VAL -2.30 -1.90 1
81 THR -2.50 -0.60 1
82 PHE -6.00 -5.60 1
83 HIS -4.40 -0.60 1
84 LEU -1.50 0.50 1
85 LYS -4.70 -1.40 1
86 GLU -0.70 0.30 1
87 GLU -3.60 -0.90 1
88 GLU 3.70 2.10 1
89 ASN 1.00 0.30 1
91 THR -2.00 1.00 1
92 ILE 0.10 -1.00 1
93 PHE -5.70 -1.60 1
94 THR -2.50 -1.60 1
95 ILE -4.00 -4.60 1
96 VAL -3.40 -1.50 1
97 HIS -5.70 -1.90 1
98 SER -4.40 -2.30 1
100 TRP -1.10 -0.10 1
101 LYS -1.20 -1.00 1
102 GLN 0.50 0.80 1
104 ASP 0.30 -0.80 1
105 THR 0.80 0.60 1
106 LYS 1.60 1.30 1
108 GLU 3.80 3.10 1
109 LYS 2.80 2.00 1
110 ALA -1.50 -0.90 1
112 ALA -4.90 -1.90 1
113 GLU 0.10 0.30 1
114 SER 5.60 5.40 1
115 ALA 3.90 3.20 1
116 VAL 3.50 2.90 1
117 VAL 4.80 4.30 1
118 HIS 4.00 5.50 1
119 GLU 3.70 3.10 1
120 ARG 3.90 3.10 1
121 MET 3.70 2.00 1
122 ASP 3.50 4.00 1
123 ARG 3.30 2.60 1
125 TRP 2.50 3.50 1
127 ASP 4.00 3.50 1
128 LEU 3.80 3.80 1
129 VAL 2.70 2.00 1
130 ASN 1.70 2.80 1
131 GLU -0.10 0.70 1
132 ARG 5.10 4.20 1
133 LEU 4.90 2.00 1
134 ARG 3.80 3.70 1
135 GLN 3.50 2.50 1
136 ILE 1.90 0.40 1
137 VAL 1.70 0.20 1
138 GLU -0.00 -0.10 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6369_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.90
_LACS_plot.Line_1_terminator_val_y_1 4.06
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.10
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.27
_LACS_plot.Line_2_terminator_val_x_2 6.60
_LACS_plot.Line_2_terminator_val_y_2 -1.38
_LACS_plot.Y_axis_chem_shift_offset 0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 GLN 2.00 -3.80 0
126 HIS 4.50 1.90 0
37 ASN -4.70 5.90 0
10 GLU -5.80 3.80 1
11 VAL -6.00 3.00 1
12 ARG -2.50 0.70 1
13 PHE -6.90 3.00 1
14 ASN 1.00 -2.60 1
15 ALA -2.70 2.90 1
17 ILE 5.60 -0.80 1
18 GLU 5.00 -1.50 1
19 LYS 2.30 -0.70 1
20 VAL 5.60 -2.20 1
21 TRP 2.10 0.00 1
22 GLU 3.10 -0.20 1
23 ALA 1.70 -0.10 1
24 VAL -0.70 -1.50 1
25 SER -2.30 1.30 1
26 THR -6.40 2.30 1
27 SER 2.90 -1.50 1
28 GLU 3.60 -1.00 1
30 LEU 1.20 0.70 1
31 ALA 1.90 -1.00 1
32 PHE 2.40 -0.50 1
33 TRP -2.50 0.60 1
34 PHE 0.20 -1.40 1
35 MET -4.50 3.80 1
36 GLU 2.40 -1.10 1
38 ASP 0.90 -2.90 1
39 LEU 4.30 -1.00 1
40 LYS -2.30 1.60 1
41 ALA 2.00 -3.30 1
42 GLU -5.50 3.40 1
43 THR 6.60 -2.00 1
45 HIS -0.10 3.40 1
46 HIS -0.10 0.90 1
47 PHE -3.30 0.80 1
48 HIS -2.80 3.40 1
49 LEU -4.70 2.10 1
51 SER -0.90 2.30 1
53 PHE -1.80 -1.10 1
56 SER -3.20 2.20 1
59 GLN -3.50 2.20 1
60 VAL 3.00 -1.00 1
61 THR 0.20 -0.30 1
62 ASP -1.90 2.50 1
63 VAL -3.00 2.60 1
64 GLU -2.80 1.20 1
65 ARG -0.20 0.00 1
67 ILE -1.10 2.60 1
68 LYS -3.60 3.80 1
69 LEU -4.10 4.20 1
70 SER -5.10 3.00 1
71 PHE -4.60 2.60 1
72 THR -0.80 -0.40 1
73 TRP -6.80 2.30 1
74 ASP -0.70 1.50 1
75 THR 1.50 -1.10 1
76 ASP -1.20 1.10 1
78 TRP -2.20 0.30 1
79 SER -2.80 1.80 1
80 VAL -2.30 0.40 1
81 THR -2.50 1.90 1
82 PHE -6.00 0.40 1
83 HIS -4.40 3.80 1
84 LEU -1.50 2.00 1
85 LYS -4.70 3.30 1
86 GLU -0.70 1.00 1
87 GLU -3.60 2.70 1
88 GLU 3.70 -1.60 1
89 ASN 1.00 -0.70 1
91 THR -2.00 3.00 1
92 ILE 0.10 -1.10 1
93 PHE -5.70 4.10 1
94 THR -2.50 0.90 1
95 ILE -4.00 -0.60 1
96 VAL -3.40 1.90 1
97 HIS -5.70 3.80 1
98 SER -4.40 2.10 1
100 TRP -1.10 1.00 1
101 LYS -1.20 0.20 1
102 GLN 0.50 0.30 1
104 ASP 0.30 -1.10 1
105 THR 0.80 -0.20 1
106 LYS 1.60 -0.30 1
108 GLU 3.80 -0.70 1
109 LYS 2.80 -0.80 1
110 ALA -1.50 0.60 1
112 ALA -4.90 3.00 1
113 GLU 0.10 0.20 1
114 SER 5.60 -0.20 1
115 ALA 3.90 -0.70 1
116 VAL 3.50 -0.60 1
117 VAL 4.80 -0.50 1
118 HIS 4.00 1.50 1
119 GLU 3.70 -0.60 1
120 ARG 3.90 -0.80 1
121 MET 3.70 -1.70 1
122 ASP 3.50 0.50 1
123 ARG 3.30 -0.70 1
125 TRP 2.50 1.00 1
127 ASP 4.00 -0.50 1
128 LEU 3.80 0.00 1
129 VAL 2.70 -0.70 1
130 ASN 1.70 1.10 1
131 GLU -0.10 0.80 1
132 ARG 5.10 -0.90 1
133 LEU 4.90 -2.90 1
134 ARG 3.80 -0.10 1
135 GLN 3.50 -1.00 1
136 ILE 1.90 -1.50 1
137 VAL 1.70 -1.50 1
138 GLU -0.00 -0.10 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6369_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.90
_LACS_plot.Line_1_terminator_val_y_1 0.94
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.08
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.39
_LACS_plot.Line_2_terminator_val_x_2 6.60
_LACS_plot.Line_2_terminator_val_y_2 -0.63
_LACS_plot.Y_axis_chem_shift_offset -0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
65 ARG -0.20 -1.62 0
10 GLU -5.80 1.13 1
11 VAL -6.00 0.32 1
12 ARG -2.50 0.54 1
13 PHE -6.90 0.70 1
14 ASN 1.00 0.30 1
15 ALA -2.70 -0.77 1
17 ILE 5.60 -0.03 1
18 GLU 5.00 -0.33 1
19 LYS 2.30 -0.12 1
20 VAL 5.60 -0.80 1
21 TRP 2.10 -0.25 1
22 GLU 3.10 -0.66 1
23 ALA 1.70 -0.23 1
24 VAL -0.70 0.65 1
25 SER -2.30 -0.21 1
26 THR -6.40 0.13 1
27 SER 2.90 0.27 1
28 GLU 3.60 -0.52 1
30 LEU 1.20 -0.38 1
31 ALA 1.90 -0.66 1
32 PHE 2.40 -0.14 1
33 TRP -2.50 0.27 1
34 PHE 0.20 0.09 1
35 MET -4.50 -0.17 1
36 GLU 2.40 -0.31 1
37 ASN -4.70 0.81 1
38 ASP 0.90 0.15 1
39 LEU 4.30 -1.76 1
40 LYS -2.30 -0.28 1
41 ALA 2.00 -0.21 1
42 GLU -5.50 0.25 1
43 THR 6.60 -0.91 1
45 HIS -0.10 -0.26 1
46 HIS -0.10 0.32 1
47 PHE -3.30 0.34 1
48 HIS -2.80 0.63 1
49 LEU -4.70 0.39 1
50 GLN 2.00 -0.02 1
51 SER -0.90 0.49 1
53 PHE -1.80 0.29 1
56 SER -3.20 0.45 1
59 GLN -3.50 0.92 1
60 VAL 3.00 0.36 1
61 THR 0.20 0.27 1
62 ASP -1.90 0.24 1
63 VAL -3.00 0.52 1
64 GLU -2.80 0.17 1
67 ILE -1.10 0.70 1
68 LYS -3.60 1.30 1
69 LEU -4.10 0.79 1
70 SER -5.10 1.30 1
71 PHE -4.60 1.21 1
72 THR -0.80 0.41 1
73 TRP -6.80 1.53 1
74 ASP -0.70 0.01 1
75 THR 1.50 0.22 1
76 ASP -1.20 0.28 1
78 TRP -2.20 0.68 1
79 SER -2.80 0.52 1
80 VAL -2.30 0.47 1
81 THR -2.50 0.42 1
82 PHE -6.00 0.84 1
83 HIS -4.40 0.74 1
84 LEU -1.50 1.19 1
85 LYS -4.70 0.32 1
86 GLU -0.70 0.27 1
87 GLU -3.60 0.22 1
88 GLU 3.70 -0.45 1
89 ASN 1.00 -0.02 1
91 THR -2.00 0.73 1
92 ILE 0.10 0.38 1
93 PHE -5.70 0.76 1
94 THR -2.50 0.95 1
95 ILE -4.00 1.09 1
96 VAL -3.40 0.91 1
97 HIS -5.70 0.99 1
98 SER -4.40 0.83 1
100 TRP -1.10 -0.36 1
101 LYS -1.20 0.30 1
102 GLN 0.50 0.14 1
104 ASP 0.30 0.08 1
105 THR 0.80 -0.04 1
106 LYS 1.60 -0.14 1
108 GLU 3.80 -0.50 1
109 LYS 2.80 -0.29 1
110 ALA -1.50 -0.19 1
112 ALA -4.90 0.35 1
113 GLU 0.10 -0.01 1
114 SER 5.60 -0.16 1
115 ALA 3.90 -0.38 1
116 VAL 3.50 -0.21 1
117 VAL 4.80 -0.47 1
118 HIS 4.00 -1.69 1
119 GLU 3.70 -0.22 1
120 ARG 3.90 -0.21 1
121 MET 3.70 -0.01 1
122 ASP 3.50 -0.20 1
123 ARG 3.30 -0.09 1
125 TRP 2.50 0.31 1
126 HIS 4.50 -0.62 1
127 ASP 4.00 -0.10 1
128 LEU 3.80 0.02 1
129 VAL 2.70 -0.04 1
130 ASN 1.70 -0.25 1
131 GLU -0.10 0.43 1
132 ARG 5.10 -0.09 1
133 LEU 4.90 -0.90 1
134 ARG 3.80 -1.30 1
135 GLN 3.50 -0.39 1
136 ILE 1.90 -0.22 1
137 VAL 1.70 -0.14 1
138 GLU -0.00 -0.01 1
stop_
save_